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GLASS

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GPCR

Name	Follicle-stimulating hormone receptor
Species	Homo sapiens (Human)
Gene	FSHR
Synonym	Follitropin receptor FSH receptor FSH-R LGR1
Disease	Female infertility African trypanosomiasis Contraception Ovarian cancer
Length	695
Amino acid sequence	MALLLVSLLAFLSLGSGCHHRICHCSNRVFLCQESKVTEIPSDLPRNAIELRFVLTKLRVIQKGAFSGFGDLEKIEISQNDVLEVIEADVFSNLPKLHEIRIEKANNLLYINPEAFQNLPNLQYLLISNTGIKHLPDVHKIHSLQKVLLDIQDNINIHTIERNSFVGLSFESVILWLNKNGIQEIHNCAFNGTQLDELNLSDNNNLEELPNDVFHGASGPVILDISRTRIHSLPSYGLENLKKLRARSTYNLKKLPTLEKLVALMEASLTYPSHCCAFANWRRQISELHPICNKSILRQEVDYMTQARGQRSSLAEDNESSYSRGFDMTYTEFDYDLCNEVVDVTCSPKPDAFNPCEDIMGYNILRVLIWFISILAITGNIIVLVILTTSQYKLTVPRFLMCNLAFADLCIGIYLLLIASVDIHTKSQYHNYAIDWQTGAGCDAAGFFTVFASELSVYTLTAITLERWHTITHAMQLDCKVQLRHAASVMVMGWIFAFAAALFPIFGISSYMKVSICLPMDIDSPLSQLYVMSLLVLNVLAFVVICGCYIHIYLTVRNPNIVSSSSDTRIAKRMAMLIFTDFLCMAPISFFAISASLKVPLITVSKAKILLVLFHPINSCANPFLYAIFTKNFRRDFFILLSKCGCYEMQAQIYRTETSSTVHNTHPRNGHCSSAPRVTNGSTYILVPLSHLAQN
UniProt	P23945
Protein Data Bank	4mqw
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4mqw.
BioLiP	BL0274372
Therapeutic Target Database	T68334
ChEMBL	CHEMBL2024
IUPHAR	N/A
DrugBank	BE0000387

Ligand

Name	CHEMBL3809644
Molecular formula	C31H37N5O4
IUPAC name	2-cyclopropyl-N-[5-[[(1S,3S)-3-hydroxycyclohexyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
Molecular weight	543.668
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.1
Synonyms	BDBM50173581 SCHEMBL14652248
Inchi Key	ROUHJDSXZMCIMV-ZEQRLZLVSA-N
Inchi ID	InChI=1S/C31H37N5O4/c1-20-5-2-3-8-27(20)35-13-15-36(16-14-35)28-12-11-22(29(38)32-23-6-4-7-24(37)18-23)17-25(28)33-30(39)26-19-40-31(34-26)21-9-10-21/h2-3,5,8,11-12,17,19,21,23-24,37H,4,6-7,9-10,13-16,18H2,1H3,(H,32,38)(H,33,39)/t23-,24-/m0/s1
PubChem CID	71234519
ChEMBL	CHEMBL3809644
IUPHAR	N/A
BindingDB	50173581
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	>100.0 nM	PMID27096038	BindingDB,ChEMBL

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